⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3861670 | 0.79 | — | — | |
| SCHEMBL1040746 | 0.77 | NOTUM (0.32) | — | |
| SCHEMBL2852145 | 0.77 | NOTUM (0.32) | — | |
| SCHEMBL170375 | 0.75 | — | — | |
| SCHEMBL1204641 | 0.75 | — | — | |
| Water SCHEMBL2643978 | 0.74 | HCAR2 (0.41) | — | |
| SCHEMBL4439651 | 0.74 | — | — | |
| SCHEMBL18985084 | 0.73 | P2RX7 (0.30) | — | |
| SCHEMBL28287069 | 0.73 | P2RX7 (0.49) | — | |
| Hydrochloric Acid SCHEMBL4575106 | 0.72 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8940771-B2 | Organic compounds | NOVARTIS AG (CH) | 2015-01-27 | — | — | US | disclosed |
| EP-2240475-B1 | THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS | NOVARTIS AG (CH) | 2013-09-25 | — | — | EP | disclosed |
| US-20100298286-A1 | Organic Compounds | NOVARTIS AG | 2010-11-25 | — | — | US | disclosed |
| EP-2238134-A2 | BIS-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | Novartis AG (CH) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009080705-A2 | BIS-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | NOVARTIS AG (CH) | 2009-07-02 | — | — | WO | disclosed |
| US-20090163469-A1 | Organic Compounds | NOVARTIS AG | 2009-06-25 | — | — | US | disclosed |